Dear all,
I was using Reax package for graphene-oxide and water system, but after no more than 1000 steps, I got this error:
ERROR on proc 19: Reax_defs.h setting for NNEIGHMAXDEF is too small (pair_reax.cpp:421)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 19
[7:c06b06] unexpected disconnect completion event from [19:c26b16]
Assertion failed in file …/…/dapl_module_util.c at line 2682: 0
Does anyone have ideas about this?
Best,
Xiong wei